SCHEMBL2288680

SCHEMBL2288680

Cc1ccc2c(-c3nnc(SCCC(C)N4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 20/20 1.00
DRD3 P35462 19/20 1.00
HRH1 P35367 5/20 0.78
DRD2 P14416 4/20 0.78
CHRM2 P08172 1/20 0.78
CHRM4 P08173 1/20 0.78
CHRM5 P08912 1/20 0.78
CHRM1 P11229 1/20 0.78
CHRM3 P20309 1/20 0.78
HTR1D P28221 1/20 0.78

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2283855 0.99 KCNH2 (0.98) KCNH2DRD3HRH1DRD2CHRM2
SCHEMBL4879822 0.89 DRD3 (1.00) KCNH2DRD3HRH1DRD2CHRM2
Hydrochloric Acid SCHEMBL4881579 0.88 DRD3 (0.98) KCNH2DRD3HRH1DRD2CHRM2
SCHEMBL2287102 0.88 DRD3 (1.00) KCNH2DRD3HRH1DRD2CHRM2
Hydrochloric Acid SCHEMBL2363828 0.87 DRD3 (0.98) KCNH2DRD3HRH1DRD2CHRM2
SCHEMBL2308281 0.76 KCNH2 (1.00) KCNH2DRD3HRH1DRD2
Hydrochloric Acid SCHEMBL2308641 0.75 KCNH2 (0.99) KCNH2DRD3HRH1DRD2
SCHEMBL2288693 0.74 DRD3 (0.76) KCNH2DRD3HRH1DRD2CHRM2
SCHEMBL2312927 0.74 DRD3 (1.00) KCNH2DRD3HRH1DRD2CHRM2
SCHEMBL2287213 0.74 DRD3 (0.76) KCNH2DRD3HRH1DRD2CHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US claimed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US claimed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US disclosed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US disclosed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US disclosed
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
EP-1758890-A1 7-PYRAZOLYLBENZAZEPINES HAVING AFFINITY FOR D3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-03-07 EP disclosed
WO-2005123717-A1 7-PYRAZOLYLBENZAZEPINES HAVING AFFINITY FOR D3 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor DRD3, HTR3C, GRIN3A KCNH2 162/4885DRD3 1/4885HRH1 149/4885
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) DRD3, DRD2, SLC6A3 KCNH2 399/4885DRD3 1/4885HRH1 672/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.